3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal

C13H18O4 — CID 117349022

IUPAC3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
SMILESCOCc1cc(OC)cc(OC)c1CCC=O
InChIInChI=1S/C13H18O4/c1-15-9-10-7-11(16-2)8-13(17-3)12(10)5-4-6-14/h6-8H,4-5,9H2,1-3H3
InChIKeyALAMQFMURUSKNV-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.98
Rot. Bonds7

About 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal

3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal (PubChem CID 117349022) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal.

Molecular Properties

Compound Name3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
PubChem CID117349022
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
SMILESCOCc1cc(OC)cc(OC)c1CCC=O
InChIInChI=1S/C13H18O4/c1-15-9-10-7-11(16-2)8-13(17-3)12(10)5-4-6-14/h6-8H,4-5,9H2,1-3H3
InChIKeyALAMQFMURUSKNV-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
CID 129220874
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
3-(3-chloro-2-hydroxy-5-methoxyphenyl)propanal
CID 117305889
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
3-amino-3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanoic acid
CID 117426323

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal?
The IUPAC name of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal (CID 117349022) is 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal.
What is the SMILES notation for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal?
The canonical SMILES for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal is COCc1cc(OC)cc(OC)c1CCC=O.
What is the InChIKey of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal?
The InChIKey is ALAMQFMURUSKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-9-10-7-11(16-2)8-13(17-3)12(10)5-4-6-14/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal?
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal has a molecular weight of 238.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal is sourced from PubChem (CID 117349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).